Centrifugal correction to hyperfine structure constants in the ground state of lead monofluoride

Petrov, A. N.; Skripnikov, L. V.; Титов, А. В.; Mawhorter, Richard

doi:10.1103/physreva.88.010501

Cited by 40 publications

(46 citation statements)

References 20 publications

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“…There is a number of systems on which experiments to search for T,P-odd effects have already been conducted or suggested and which are investigated theoretically and experimentally (HfF + [12][13][14][15][16][17][18], YbF [2,[19][20][21][22][23][24][25], ThO [3,[26][27][28][29][30][31], ThF + [13,32], WC [33,34], PbF [35][36][37][38], RaO [39,40], RaF [41,42], PtH + [16,43], etc.). Recently, TaN molecule was suggested as a new system to search for the T,P-odd MQM of the tantalum nucleus [44], where the molecule was marked as quite promising candidate to search for T,P violation in nuclear sector using molecules.…”

Section: Introductionmentioning

confidence: 99%

TaN molecule as a candidate for the search for aT,P-violating nuclear magnetic quadrupole moment

et al. 2015

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It is demonstrated that the TaN molecule is the best candidate to search for T,P-violating nuclear magnetic quadrupole moment (MQM), it also looks promising to search for other T,P-odd effects. We report results of coupled-cluster calculations of T,P-odd effects in TaN produced by the Ta nucleus MQM, electron electric dipole moment (EDM), scalar−pseudoscalar nucleus−electron interactions, also of the molecule-axis hyperfine structure constant and dipole moment. Nuclear calculations of 181 Ta MQM are performed to express the T,P-odd effect in terms of the strength constants of T,P-odd nuclear forces, proton and neutron EDM, QCD parameter θ and quark chromo-EDM.

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Section: Introductionmentioning

confidence: 99%

TaN molecule as a candidate for the search for aT,P-violating nuclear magnetic quadrupole moment

et al. 2015

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“…[39]. GRECP and the restoration procedure were also successfully used for precise investigation of different diatomics [7,29,[40][41][42][43][44][45][46][47][48][49]. The two-step method allows one to consider high-order correlation effects and large basis sets with rather modest requirements to computer resources in comparison to 4-component approaches.…”

Section: Electronic Structure Calculation Detailsmentioning

confidence: 99%

Enhanced effect of CP -violating nuclear magnetic quadrupole moment in a HfF+ molecule

2017

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HfF+ cation is a very promising system to search for the electron electric dipole moment (EDM), and corresponding experiment is carried out by E. Cornell group. Here we theoretically investigate the cation to search for another T,P-odd effect -the nuclear magnetic quadrpole moment (MQM) interaction with electrons. We report the first accurate ab initio relativistic electronic structure calculations of the molecular parameter WM =0.494 1033 Hz e cm 2 that is required to interpret the experimental data in terms of the MQM of Hf nucleus. For this we have implemented and applied the combined Dirac-Coulomb(-Gaunt) and relativistic effective core potential approaches to treat electron correlation effects from all of the electrons and to take into account high-order correlation effects using the coupled cluster method with single, double, triple and noniterative quadruple cluster amplitudes, CCSDT(Q). We discuss interpretation of the MQM effect in terms of the strength constants of T,P-odd nuclear forces, proton and neutron EDM, QCD parameter θ and quark chromo-EDM.

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“…Second, a nonvariational restoration procedure is employed [25] to recover the valence wave function in the inner core region of a heavy atom. The two-step approach has been used in various calculations of AiC properties [11,26,[41][42][43][44][45][46] and has proven to be a reliable source of theoretical data for experimental investigations [47]. The GRECP from Ref.…”

Section: Electronic Structure Calculationsmentioning

confidence: 99%

Ab initiostudy of radium monofluoride (RaF) as a candidate to search for parity- and time-and-parity–violation effects

et al. 2014

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Relativistic ab initio calculations have been performed to assess the suitability of RaF for experimental search of P− and T,P−violating interactions. The parameters of P− and T,P−odd terms of the spin-rotational Hamiltonian have been calculated for the 2 Σ electronic ground state of 223 RaF molecule. They include the Wa parameter, which is critical in experimental search for nuclear anapole moment and the parameters W d and WSP required to obtain restrictions on the electric dipole moment of the electron and T,P−odd scalar−pseudoscalar interactions, respectively. The parameter X corresponding to the "volume effect" in the T,P−odd interaction of the 223 Ra nuclear Schiff moment with electronic shells of RaF has also been computed. Spectroscopic and hyperfine structure constants for 223 RaF and 223 Ra + have been computed as well, demonstrating the accuracy of the methods employed.

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Centrifugal correction to hyperfine structure constants in the ground state of lead monofluoride

Cited by 40 publications

References 20 publications

TaN molecule as a candidate for the search for aT,P-violating nuclear magnetic quadrupole moment

TaN molecule as a candidate for the search for aT,P-violating nuclear magnetic quadrupole moment

Enhanced effect of CP -violating nuclear magnetic quadrupole moment in a HfF+ molecule

Ab initiostudy of radium monofluoride (RaF) as a candidate to search for parity- and time-and-parity–violation effects

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